N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine

C8H17NO2S — CID 59035145

IUPACN-methyl-3-methylidene-1-methylsulfonylpentan-2-amine
SMILESC=C(CC)C(CS(C)(=O)=O)NC
InChIInChI=1S/C8H17NO2S/c1-5-7(2)8(9-3)6-12(4,10)11/h8-9H,2,5-6H2,1,3-4H3
InChIKeyPPELZFCEVIDCSQ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.59
Rot. Bonds5

About N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine

N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine (PubChem CID 59035145) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-methylsulfonylpentan-2-amine
PubChem CID59035145
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-methyl-3-methylidene-1-methylsulfonylpentan-2-amine
SMILESC=C(CC)C(CS(C)(=O)=O)NC
InChIInChI=1S/C8H17NO2S/c1-5-7(2)8(9-3)6-12(4,10)11/h8-9H,2,5-6H2,1,3-4H3
InChIKeyPPELZFCEVIDCSQ-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine?
The IUPAC name of N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine (CID 59035145) is N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine?
The canonical SMILES for N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine is C=C(CC)C(CS(C)(=O)=O)NC.
What is the InChIKey of N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine?
The InChIKey is PPELZFCEVIDCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-7(2)8(9-3)6-12(4,10)11/h8-9H,2,5-6H2,1,3-4H3.
What are the key properties of N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine?
N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine has a molecular weight of 191.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-methylsulfonylpentan-2-amine is sourced from PubChem (CID 59035145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).